methyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate

C23H21NO4 — CID 54157261

IUPACmethyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate
SMILESCOC=C(C(=O)OC)c1ccccc1Oc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C23H21NO4/c1-26-16-21(23(25)27-2)20-13-6-7-14-22(20)28-19-12-8-11-18(15-19)24-17-9-4-3-5-10-17/h3-16,24H,1-2H3
InChIKeyOLYJRACVDFPNRE-UHFFFAOYSA-N
MW375.42 g/mol
LogP5.38
Rot. Bonds7

About methyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate

methyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate (PubChem CID 54157261) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is methyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate
PubChem CID54157261
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Namemethyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate
SMILESCOC=C(C(=O)OC)c1ccccc1Oc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C23H21NO4/c1-26-16-21(23(25)27-2)20-13-6-7-14-22(20)28-19-12-8-11-18(15-19)24-17-9-4-3-5-10-17/h3-16,24H,1-2H3
InChIKeyOLYJRACVDFPNRE-UHFFFAOYSA-N
XLogP5.38
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate
CID 67784963
methyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate
CID 15125736
methyl (E)-3-methoxy-2-[2-[3-(5-methylpyrimidin-2-yl)oxyphenoxy]phenyl]prop-2-enoate
CID 66620695
2-[2-(3-formylphenoxy)phenyl]-3-methoxyprop-2-enoic acid
CID 173342076
methyl 3-methoxy-2-[2-[(4-phenoxy-1,3,5-triazin-2-yl)oxy]phenyl]prop-2-enoate
CID 54201537
(Z)-2-[2-[3-[hydroxy(phenyl)methyl]phenoxy]phenyl]-3-methoxyprop-2-enoic acid
CID 22243719
methyl 3-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxy]phenyl]prop-2-enoate
CID 54282880
3-methoxy-2-[2-(3-phenoxycarbonylphenoxy)phenyl]prop-2-enoic acid
CID 151245720
methyl 2-[2-[[4-(diethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate
CID 5085833
2-[(Z)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]benzoic acid
CID 12680860
methyl (E)-3-methoxy-2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]prop-2-enoate
CID 67782160
ethane;methyl 3-methoxy-2-[2-[(3-phenoxyphenoxy)methyl]phenyl]prop-2-enoate
CID 91362443

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate?
The IUPAC name of methyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate (CID 54157261) is methyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate.
What is the SMILES notation for methyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate?
The canonical SMILES for methyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate is COC=C(C(=O)OC)c1ccccc1Oc1cccc(Nc2ccccc2)c1.
What is the InChIKey of methyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate?
The InChIKey is OLYJRACVDFPNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-26-16-21(23(25)27-2)20-13-6-7-14-22(20)28-19-12-8-11-18(15-19)24-17-9-4-3-5-10-17/h3-16,24H,1-2H3.
What are the key properties of methyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate?
methyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate has a molecular weight of 375.42 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate is sourced from PubChem (CID 54157261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).